16
Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=703.4923629382325 stress="-0.04878734257661254 0.005638631191066349 0.018860686072920692 0.005638631191066349 -0.054160619254068385 -0.00918417104566948 0.018860686072920692 -0.00918417104566948 -0.044599459164608814" pbc="F F F"
Ti      20.81552763      21.05464164      21.28252912     -12.29871349     -21.13543888     -67.38029477 
Ti      22.35328970      22.67353950      22.77578374    1124.86180699   -1170.86896713    -985.77122375 
Ti      24.11804687      20.98740317      21.05583865     -17.38972041     -26.05265843     -30.40485377 
Ti      25.44782115      22.55743223      22.70080026     101.60309336     -66.04918497     -42.02646892 
Ti      20.77531465      24.00599554      20.73129383      -8.39502312       3.85232521      -9.34586544 
Ti      22.40141344      25.40792524      22.79669832     322.75217367     565.95008927    -316.76810115 
Ti      23.74522344      23.98100523      21.18782762      53.73184806      13.69867047    -135.49061209 
Ti      25.55503518      25.31492470      22.67241696     212.17861415     194.98476700    -226.04387926 
Ti      20.73866408      21.17499897      23.85506960     -85.38456995     -84.41148832      96.69971116 
Ti      22.51706531      22.78364888      25.36816220      23.62652576     -94.92780877     205.54744969 
Ti      23.74752825      20.79224341      23.95975487       8.36143906     -68.68092259       7.78746528 
Ti      25.23029709      22.48673854      25.48759665      94.60807448     -97.15588282     114.04070460 
Ti      21.16776451      23.93832911      23.76950852   -1618.53730793     812.17366250    1150.48126045 
Ti      22.92572733      25.72782691      25.49843958     -89.95561275      77.13707319      78.97274342 
Ti      24.21383538      24.16271962      24.10043625    -444.83716670    -328.04933600    -145.19858952 
Ti      25.52793884      25.44880502      25.31950337     335.07453883     289.53510027     304.90055408